4377-0026 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

4377-0026 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
4377-0026 Screening compound: 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4377-0026
2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4377-0026

Molecular Formula

C16H14Cl2N2OS (C16 H14 Cl2 N2 OS)

Compound Name

2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

IUPAC name

2-{[(24-dichlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

Cc(nc1SCc(ccc(Cl)c2)c2Cl)cc(COC)c1C#N

InChI

InChI=1S/C16H14Cl2N2OS/c1-10-5-12(8-21-2)14(7-19)16(20-10)22-9-11-3-4-13(17)6-15(11)18/h3-6H,8-9H2,1-2H3

InChI Key

HLIQVEVRUAKVDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.737

Water Solubility, LogSw

-4.96

Polar Surface Area

34.001

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4377-0026 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4377-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4377-0026?
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What is the minimum amount of 4377-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4377-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4377-0026
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4377-0026 available by request